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Infrared spectroscopy captures detailed structure and action of organocatalyst in real time
In a collaborative effort, researchers at the University of Amsterdam and the HFML-FELIX institute in Nijmegen have been able ...
Machine learning method improves accuracy of inverse protein folding for drug design
An AI approach developed by researchers from the University of Sheffield and AstraZeneca, could make it easier to design ...
Molecular structure of tuberculosis efflux pump reveals how bacteria resist key antibiotic
Tuberculosis is the world's leading infectious cause of death, killing more than one million people each year. When the ...
Scientific Research Publishing3mon
Villordo, S.M. and Gamarnik, A.V. (2009) Genome Cyclization as Strategy for Flavivirus RNA Replication. Virus Research, 139, 230-239.
The RNA-elongating NS5-NS3 complex is a critical molecular structure responsible for dengue virus replication ... Seven small molecules—AT-9010, RK-0404678, Oseltamivir, Remdesivir, Favipiravir-RTP, ...
Scientific Research Publishing8mon
Abramson, J., Adler, J., Dunger, J., Evans, R., Green, T., Pritzel, A., et al. (2024) Accurate Structure Prediction of Biomolecular Interactions with Alphafold 3. Nature, 630 ...
Remdesivir, Abacavir, Ribavirin, and Oseltamivir—as potential viral RNA polymerase inhibitors. Notably, the first four of these ligands have been clinically employed in the treatment of COVID-19, ...
Science Daily1y
Using computer algorithms to find molecular adaptations to improve COVID-19 drugs
"Then the data-driven framework altered the structure of that molecule to enhance that activity. We compared those side by side to show that this new compound that was expected to be more potent ...
National Geographic news2y
Meet the woman who gave the world antiviral drugs
When news broke in April that the drug remdesivir had been shown to speed ... “Trudy was making nucleosides before we even knew what the structure of DNA was,” says Marty St. Clair, a ...
GEN2y
SARS-CoV-2 Enzyme’s Crystal Structure Paves Way to New Antivirals
which has eluded previous attempts by the scientific community to characterize its 3D crystal structure. This work is published in Nature Structural & Molecular Biology in the paper ...
SciTech Daily2y
Crystal Structure of Key SARS-CoV-2 Enzyme Unraveled – Paving the Way for New COVID Antivirals
Researchers unravel the crystal structure of a key enzyme of SARS-CoV-2 ... and in collaboration with medicinal chemists and virologists, we can now design small molecule inhibitors to add to the ...